CAS 3694-57-3

4-Methoxybenzyl isothiocyanate

Description:

4-Methoxybenzyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a 4-methoxybenzyl moiety. It typically appears as a colorless to pale yellow liquid with a pungent odor, which is common among isothiocyanates. This compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in pharmaceutical and agricultural research. Its molecular structure includes a methoxy group (-OCH3) that enhances its lipophilicity, potentially influencing its bioavailability and reactivity. 4-Methoxybenzyl isothiocyanate is soluble in organic solvents but has limited solubility in water. As with many isothiocyanates, it can undergo hydrolysis to form corresponding thioureas and other derivatives, depending on the environmental conditions. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, 4-Methoxybenzyl isothiocyanate is a compound of significant interest in various fields, including medicinal chemistry and agrochemicals.

Formula: C₉H₉NOS

InChI: InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3

InChI key: InChIKey=IMFQYAJJXFXVMM-UHFFFAOYSA-N

SMILES: C(N=C=S)C1=CC=C(OC)C=C1

Synonyms:

• 1-(Isothiocyanatomethyl)-4-methoxybenzene
• Benzene, 1-(isothiocyanatomethyl)-4-methoxy-
• Isothiocyanic acid, p-methoxybenzyl ester
• p-Methoxybenzyl isothiocyanate
• α-Isothiocyanato-p-methoxytoluene
• 4-Methoxybenzyl isothiocyanate

4-Methoxybenzyl isothiocyanate, 94%

CAS: 3694-57-3

4-Methoxybenzyl isothiocyanate is used as pharmaceutical intermediates. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU r

Formula: C₉H₉NOS

Purity: 94%

Color and Shape: Liquid, Clear yellow

Molecular weight: 179.24

Ref: 02-L12342

4-Methoxybenzyl isothiocyanate

CAS: 3694-57-3

Formula: C₉H₉NOS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 179.2389

Ref: IN-DA0035V6

4-Methoxybenzyl Isothiocyanate

CAS: 3694-57-3

4-Methoxybenzyl Isothiocyanate

Purity: 98%

Molecular weight: 179.24g/mol

Ref: 54-OR1011587

4-Methoxybenzyl isothiocyanate

CAS: 3694-57-3

Formula: C₉H₉NOS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 179.24

Ref: 10-F008998

4-Methoxybenzyl Isothiocyanate

Controlled Product

CAS: 3694-57-3

Formula: C₉H₉NOS

Color and Shape: Neat

Molecular weight: 179.24

Ref: TR-M226110